CID 42959257

1170395-91-1

Structural Information

Molecular Formula
C11H15NO4
SMILES
CC(C1=CC(=C(C=C1)OCC(=O)O)OC)N
InChI
InChI=1S/C11H15NO4/c1-7(12)8-3-4-9(10(5-8)15-2)16-6-11(13)14/h3-5,7H,6,12H2,1-2H3,(H,13,14)
InChIKey
JRXRMZMQYPBWRN-UHFFFAOYSA-N
Compound name
2-[4-(1-aminoethyl)-2-methoxyphenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10011 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 149.1
[M+Na]+ 248.089328 155.6
[M-H]- 224.092834 151.1
[M+NH4]+ 243.133933 166.1
[M+K]+ 264.063268 154.6
[M+H-H2O]+ 208.097370 142.8
[M+HCOO]- 270.098311 170.9
[M+CH3COO]- 284.113961 190.6
[M+Na-2H]- 246.074776 151.0
[M]+ 225.09956142 150.6
[M]- 225.10065858 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.